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GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesHomo sapiens (Human)
GeneHTR1D
SynonymSerotonin 1D alpha receptor
serotonin receptor 1D
HTRL
Htr1db
5-HT-1D
[ Show all ]
DiseaseAcute migraine
Epilepsy
Migraine headaches
Mood disorder
Migraine
[ Show all ]
Length377
Amino acid sequenceMSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProtP28221
Protein Data BankN/A
GPCR-HGmod modelP28221
3D structure modelThis predicted structure model is from GPCR-EXP P28221.
BioLiPN/A
Therapeutic Target DatabaseT11072
ChEMBLCHEMBL1983
IUPHAR3
DrugBankBE0000659

Ligand

NameCHEMBL194206
Molecular formulaC23H30FN5O2
IUPAC name4-(4-fluorophenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
Molecular weight427.524
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50173090
4-(4-Fluoro-phenyl)-piperazine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
Inchi KeyAOENLUNXEDMDRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30FN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)
PubChem CID44403098
ChEMBLCHEMBL194206
IUPHARN/A
BindingDB50173090
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki168.0 nMPMID16143528BindingDB
Ki168.2 nMPMID16143528ChEMBL

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